Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxu_UF.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A N TRP 2.A O no hydrogen 2.896 N/A ALA 7.A N VAL 3.A O no hydrogen 2.895 N/A ARG 8.A N ALA 4.A O no hydrogen 2.997 N/A LEU 11.A N ALA 7.A O no hydrogen 3.071 N/A GLU 12.A N ARG 8.A O no hydrogen 2.939 N/A ARG 13.A N PHE 9.A O no hydrogen 2.887 N/A ALA 14.A N TYR 10.A O no hydrogen 3.001 N/A ARG 19.A N ALA 15.A O no hydrogen 2.977 N/A GLU 20.A N PRO 16.A O no hydrogen 2.959 N/A TRP 21.A N GLU 17.A O no hydrogen 2.948 N/A GLU 22.A N LEU 18.A O no hydrogen 2.901 N/A GLU 23.A N ARG 19.A O no hydrogen 2.937 N/A LYS 24.A N GLU 20.A O no hydrogen 2.939 N/A LYS 24.A NZ SER 81.A OG no hydrogen 3.343 N/A THR 28.A N GLU 31.A OE1 no hydrogen 3.005 N/A ILE 32.A N THR 28.A O no hydrogen 2.918 N/A ARG 33.A N LYS 29.A O no hydrogen 2.944 N/A ASN 34.A N ASP 30.A O no hydrogen 2.984 N/A LEU 35.A N GLU 31.A O no hydrogen 2.929 N/A VAL 36.A N ILE 32.A O no hydrogen 2.911 N/A ALA 37.A N ARG 33.A O no hydrogen 2.995 N/A LYS 38.A N ASN 34.A O no hydrogen 2.944 N/A ARG 39.A N LEU 35.A O no hydrogen 2.946 N/A SER 40.A N VAL 36.A O no hydrogen 2.921 N/A ASP 41.A N ALA 37.A O no hydrogen 2.960 N/A PHE 42.A N LYS 38.A O no hydrogen 2.957 N/A GLU 43.A N ARG 39.A O no hydrogen 2.869 N/A HIS 44.A N SER 40.A O no hydrogen 2.986 N/A LEU 45.A N ASP 41.A O no hydrogen 2.982 N/A VAL 46.A N PHE 42.A O no hydrogen 2.859 N/A LEU 47.A N GLU 43.A O no hydrogen 2.950 N/A PHE 56.A N LYS 52.A O no hydrogen 3.097 N/A LEU 57.A N PRO 53.A O no hydrogen 2.896 N/A ASN 58.A N THR 54.A O no hydrogen 2.911 N/A TYR 59.A N ASP 55.A O no hydrogen 3.081 N/A TYR 59.A OH GLU 43.A OE2 no hydrogen 2.446 N/A VAL 60.A N PHE 56.A O no hydrogen 2.972 N/A ASN 61.A N LEU 57.A O no hydrogen 2.903 N/A TRP 62.A N ASN 58.A O no hydrogen 2.965 N/A GLU 63.A N TYR 59.A O no hydrogen 2.997 N/A ARG 64.A N VAL 60.A O no hydrogen 2.948 N/A SER 65.A N ASN 61.A O no hydrogen 2.929 N/A SER 65.A OG ASN 61.A O no hydrogen 3.235 N/A LEU 66.A N TRP 62.A O no hydrogen 2.906 N/A ASP 67.A N GLU 63.A O no hydrogen 3.001 N/A ARG 68.A N ARG 64.A O no hydrogen 2.998 N/A LEU 69.A N SER 65.A O no hydrogen 2.888 N/A ARG 70.A N LEU 66.A O no hydrogen 2.938 N/A ALA 71.A N ASP 67.A O no hydrogen 2.958 N/A LYS 72.A N ARG 68.A O no hydrogen 3.002 N/A ARG 73.A N LEU 69.A O no hydrogen 2.924 N/A ARG 73.A NH2 ILE 26.A O no hydrogen 3.503 N/A CYS 74.A N ARG 70.A O no hydrogen 2.851 N/A CYS 74.A SG ILE 79.A O no hydrogen 3.234 N/A ALA 75.A N ALA 71.A O no hydrogen 2.994 N/A ARG 76.A N LYS 72.A O no hydrogen 2.960 N/A LEU 77.A N ARG 73.A O no hydrogen 2.927 N/A ILE 79.A N CYS 74.A O no hydrogen 3.135 N/A GLN 88.A N SER 84.A O no hydrogen 3.020 N/A ALA 89.A N HIS 85.A O no hydrogen 2.913 N/A ARG 90.A N ALA 86.A O no hydrogen 2.957 N/A ARG 90.A NE ALA 86.A O no hydrogen 3.346 N/A THR 91.A N SER 87.A O no hydrogen 2.956 N/A THR 91.A OG1 SER 87.A O no hydrogen 2.587 N/A PHE 92.A N GLN 88.A O no hydrogen 2.963 N/A GLY 93.A N ALA 89.A O no hydrogen 2.971 N/A ILE 94.A N ARG 90.A O no hydrogen 2.970 N/A PHE 95.A N THR 91.A O no hydrogen 3.008 N/A GLU 96.A N PHE 92.A O no hydrogen 2.901 N/A ARG 97.A N GLY 93.A O no hydrogen 3.076 N/A ARG 97.A NH2 GLU 43.A OE2 no hydrogen 3.046 N/A ALA 98.A N ILE 94.A O no hydrogen 2.900 N/A VAL 99.A N PHE 95.A O no hydrogen 2.935 N/A LEU 100.A N GLU 96.A O no hydrogen 2.975 N/A LYS 101.A N ARG 97.A O no hydrogen 2.968 N/A HIS 102.A N ALA 98.A O no hydrogen 2.928 N/A SER 105.A OG HIS 102.A O no hydrogen 3.469 N/A TRP 109.A N SER 105.A O no hydrogen 3.057 N/A TRP 109.A NE1 PRO 103.A O no hydrogen 2.863 N/A LEU 110.A N ILE 106.A O no hydrogen 2.852 N/A ALA 111.A N GLU 107.A O no hydrogen 2.961 N/A TYR 112.A N LEU 108.A O no hydrogen 2.953 N/A TYR 112.A OH GLU 96.A OE2 no hydrogen 2.645 N/A LEU 113.A N TRP 109.A O no hydrogen 2.954 N/A GLU 114.A N LEU 110.A O no hydrogen 2.887 N/A PHE 115.A N ALA 111.A O no hydrogen 2.956 N/A ALA 116.A N TYR 112.A O no hydrogen 2.952 N/A ALA 117.A N LEU 113.A O no hydrogen 2.929 N/A GLN 118.A N GLU 114.A O no hydrogen 2.913 N/A VAL 119.A N PHE 115.A O no hydrogen 2.995 N/A ALA 121.A N ALA 116.A O no hydrogen 3.068 N/A TRP 125.A N ALA 121.A O no hydrogen 2.908 N/A ARG 126.A N THR 122.A O no hydrogen 2.926 N/A ARG 127.A N LYS 123.A O no hydrogen 3.053 N/A ILE 128.A N ARG 124.A O no hydrogen 2.951 N/A MET 129.A N TRP 125.A O no hydrogen 2.887 N/A THR 130.A N ARG 126.A O no hydrogen 2.967 N/A THR 130.A OG1 ARG 126.A O no hydrogen 2.850 N/A ARG 131.A N ARG 127.A O no hydrogen 3.068 N/A ARG 131.A NH1 GLU 96.A OE2 no hydrogen 2.877 N/A ALA 132.A N ILE 128.A O no hydrogen 2.914 N/A LEU 133.A N MET 129.A O no hydrogen 2.926 N/A ARG 134.A N THR 130.A O no hydrogen 2.973 N/A LEU 135.A N ARG 131.A O no hydrogen 3.044 N/A HIS 136.A N ALA 132.A O no hydrogen 2.913 N/A HIS 136.A NE2 PRO 103.A O no hydrogen 2.875 N/A ASN 139.A N HIS 136.A O no hydrogen 3.455 N/A TRP 143.A N ASN 139.A O no hydrogen 3.089 N/A TRP 143.A NE1 PRO 137.A O no hydrogen 2.453 N/A THR 144.A N ALA 140.A O no hydrogen 2.893 N/A THR 144.A OG1 ALA 140.A O no hydrogen 3.254 N/A THR 144.A OG1 SER 141.A O no hydrogen 2.992 N/A LEU 145.A N SER 141.A O no hydrogen 2.947 N/A ALA 146.A N LEU 142.A O no hydrogen 3.000 N/A GLY 147.A N TRP 143.A O no hydrogen 2.966 N/A ARG 148.A N THR 144.A O no hydrogen 2.847 N/A ARG 149.A N LEU 145.A O no hydrogen 2.984 N/A ALA 150.A N ALA 146.A O no hydrogen 3.000 N/A ALA 151.A N GLY 147.A O no hydrogen 2.932 N/A GLN 152.A N ARG 148.A O no hydrogen 2.846 N/A ASN 153.A N ARG 149.A O no hydrogen 2.902 N/A GLY 154.A N ALA 150.A O no hydrogen 2.924 N/A ALA 159.A N ASP 155.A O no hydrogen 2.949 N/A ARG 160.A N MET 156.A O no hydrogen 2.875 N/A ARG 160.A NH1 TYR 180.A OH no hydrogen 3.179 N/A ALA 161.A N GLN 157.A O no hydrogen 2.912 N/A HIS 162.A N ARG 158.A O no hydrogen 3.011 N/A HIS 162.A ND1 ARG 158.A O no hydrogen 2.766 N/A PHE 163.A N ALA 159.A O no hydrogen 2.930 N/A LEU 164.A N ARG 160.A O no hydrogen 2.829 N/A ARG 165.A N ALA 161.A O no hydrogen 3.096 N/A GLY 166.A N HIS 162.A O no hydrogen 2.936 N/A CYS 167.A N PHE 163.A O no hydrogen 2.890 N/A CYS 167.A SG PHE 163.A O no hydrogen 3.243 N/A ARG 168.A N LEU 164.A O no hydrogen 2.930 N/A PHE 169.A N ARG 165.A O no hydrogen 3.039 N/A PHE 169.A N GLY 166.A O no hydrogen 3.237 N/A CYS 170.A N GLY 166.A O no hydrogen 2.833 N/A CYS 170.A SG PRO 137.A O no hydrogen 3.504 N/A THR 171.A OG1 THR 171.A O no hydrogen 2.515 N/A THR 171.A OG1 GLN 213.A OE1 no hydrogen 2.464 N/A TRP 177.A NE1 CYS 170.A O no hydrogen 3.095 N/A LEU 178.A N PRO 174.A O no hydrogen 2.952 N/A GLU 179.A N THR 175.A O no hydrogen 2.990 N/A TYR 180.A N LEU 176.A O no hydrogen 2.883 N/A ALA 181.A N TRP 177.A O no hydrogen 2.975 N/A ARG 182.A N LEU 178.A O no hydrogen 2.928 N/A CYS 183.A N GLU 179.A O no hydrogen 2.913 N/A GLU 184.A N TYR 180.A O no hydrogen 2.895 N/A MET 185.A N ALA 181.A O no hydrogen 2.956 N/A ASP 186.A N ARG 182.A O no hydrogen 2.899 N/A TRP 187.A N CYS 183.A O no hydrogen 2.914 N/A LEU 188.A N GLU 184.A O no hydrogen 2.917 N/A ALA 189.A N MET 185.A O no hydrogen 2.877 N/A ARG 190.A N ASP 186.A O no hydrogen 2.910 N/A MET 191.A N TRP 187.A O no hydrogen 2.886 N/A GLU 192.A N LEU 188.A O no hydrogen 2.911 N/A ALA 193.A N ALA 189.A O no hydrogen 2.885 N/A LYS 194.A N ARG 190.A O no hydrogen 2.927 N/A LYS 195.A N GLU 192.A O no hydrogen 3.083 N/A LYS 195.A NZ MET 191.A O no hydrogen 3.449 N/A SER 199.A OG PRO 196.A O no hydrogen 3.102 N/A GLY 200.A N PRO 196.A O no hydrogen 3.049 N/A ALA 205.A N ALA 201.A O no hydrogen 2.929 N/A VAL 206.A N ILE 202.A O no hydrogen 2.889 N/A PHE 207.A N PRO 203.A O no hydrogen 2.899 N/A ASP 208.A N ILE 204.A O no hydrogen 2.894 N/A VAL 209.A N ALA 205.A O no hydrogen 2.942 N/A ALA 210.A N VAL 206.A O no hydrogen 2.839 N/A LYS 212.A N VAL 209.A O no hydrogen 3.484 N/A GLN 213.A NE2 VAL 209.A O no hydrogen 3.679 N/A TRP 216.A N GLN 213.A O no hydrogen 3.162 N/A ALA 221.A N GLY 217.A O no hydrogen 2.948 N/A GLU 222.A N PRO 218.A O no hydrogen 2.896 N/A LYS 223.A N ALA 219.A O no hydrogen 2.914 N/A PHE 224.A N ALA 220.A O no hydrogen 2.931 N/A PHE 225.A N ALA 221.A O no hydrogen 2.950 N/A ASP 226.A N GLU 222.A O no hydrogen 2.872 N/A VAL 227.A N LYS 223.A O no hydrogen 2.940 N/A PHE 228.A N PHE 224.A O no hydrogen 2.926 N/A ALA 229.A N PHE 225.A O no hydrogen 2.866 N/A CYS 236.A SG SER 199.A O no hydrogen 3.268 N/A CYS 236.A SG GLY 200.A O no hydrogen 4.011 N/A ARG 239.A NH2 SER 199.A O no hydrogen 2.546 N/A ILE 240.A N CYS 236.A O no hydrogen 2.959 N/A ILE 241.A N HIS 237.A O no hydrogen 2.930 N/A SER 242.A N GLU 238.A O no hydrogen 2.884 N/A SER 242.A OG GLU 238.A O no hydrogen 2.506 N/A SER 242.A OG ARG 239.A O no hydrogen 2.828 N/A HIS 243.A N ARG 239.A O no hydrogen 2.943 N/A VAL 244.A N ILE 240.A O no hydrogen 2.973 N/A VAL 245.A N ILE 241.A O no hydrogen 2.947 N/A THR 246.A N SER 242.A O no hydrogen 2.902 N/A THR 247.A N HIS 243.A O no hydrogen 2.923 N/A THR 247.A OG1 HIS 243.A O no hydrogen 2.490 N/A MET 248.A N VAL 244.A O no hydrogen 2.941 N/A GLN 249.A N VAL 245.A O no hydrogen 2.842 N/A GLU 250.A N THR 246.A O no hydrogen 2.921 N/A LEU 251.A N THR 247.A O no hydrogen 2.957 N/A PHE 252.A N MET 248.A O no hydrogen 2.876 N/A ASN 254.A ND2 THR 293.A O no hydrogen 2.580 N/A CYS 257.A N HIS 255.A ND1 no hydrogen 3.030 N/A CYS 257.A SG PRO 218.A O no hydrogen 3.858 N/A THR 258.A OG1 PHE 252.A O no hydrogen 2.693 N/A TRP 259.A N HIS 255.A O no hydrogen 2.928 N/A TRP 259.A NE1 ASN 254.A OD1 no hydrogen 2.581 N/A SER 260.A N PRO 256.A O no hydrogen 2.857 N/A VAL 261.A N CYS 257.A O no hydrogen 2.918 N/A HIS 262.A N THR 258.A O no hydrogen 2.945 N/A ILE 263.A N TRP 259.A O no hydrogen 2.883 N/A ARG 264.A N SER 260.A O no hydrogen 2.898 N/A ARG 264.A NE SER 260.A O no hydrogen 3.177 N/A ALA 278.A N ALA 274.A O no hydrogen 3.411 N/A LEU 279.A N PHE 275.A O no hydrogen 2.911 N/A ARG 280.A N PRO 276.A O no hydrogen 2.834 N/A GLU 281.A N LYS 277.A O no hydrogen 3.018 N/A SER 282.A N ALA 278.A O no hydrogen 2.878 N/A SER 282.A OG ILE 263.A O no hydrogen 2.957 N/A SER 282.A OG ALA 278.A O no hydrogen 3.464 N/A LEU 283.A N LEU 279.A O no hydrogen 2.815 N/A ALA 284.A N ARG 280.A O no hydrogen 2.959 N/A ARG 285.A N GLU 281.A O no hydrogen 3.005 N/A ARG 285.A NH1 HIS 262.A O no hydrogen 3.127 N/A LEU 286.A N SER 282.A O no hydrogen 2.812 N/A LYS 287.A N LEU 283.A O no hydrogen 2.886 N/A ALA 288.A N ALA 284.A O no hydrogen 3.017 N/A ALA 289.A N ARG 285.A O no hydrogen 2.876 N/A LEU 290.A N LEU 286.A O no hydrogen 2.833 N/A GLN 291.A N LYS 287.A O no hydrogen 3.014 N/A GLN 291.A NE2 ALA 288.A O no hydrogen 2.959 N/A SER 292.A N ALA 288.A O no hydrogen 2.953 N/A SER 292.A OG ALA 288.A O no hydrogen 3.057 N/A SER 292.A OG ALA 289.A O no hydrogen 2.676 N/A THR 293.A OG1 THR 293.A O no hydrogen 2.466 N/A THR 294.A OG1 ASN 254.A OD1 no hydrogen 2.491 N/A ARG 296.A NH2 SER 330.A O no hydrogen 3.533 N/A LEU 299.A N ASP 295.A O no hydrogen 2.984 N/A ALA 300.A N ARG 296.A O no hydrogen 2.823 N/A THR 301.A N LYS 297.A O no hydrogen 2.925 N/A THR 301.A OG1 LYS 297.A O no hydrogen 2.897 N/A THR 301.A OG1 ALA 298.A O no hydrogen 2.618 N/A LYS 302.A N ALA 298.A O no hydrogen 3.004 N/A MET 303.A N LEU 299.A O no hydrogen 2.920 N/A VAL 304.A N ALA 300.A O no hydrogen 2.859 N/A ALA 305.A N THR 301.A O no hydrogen 3.011 N/A TRP 306.A N LYS 302.A O no hydrogen 2.965 N/A MET 307.A N MET 303.A O no hydrogen 2.806 N/A ASP 308.A N VAL 304.A O no hydrogen 2.884 N/A GLY 309.A N ALA 305.A O no hydrogen 3.054 N/A ILE 310.A N TRP 306.A O no hydrogen 2.828 N/A LEU 311.A N MET 307.A O no hydrogen 2.822 N/A ALA 312.A N ASP 308.A O no hydrogen 2.994 N/A ILE 313.A N ILE 310.A O no hydrogen 3.167 N/A ARG 321.A N ASP 317.A O no hydrogen 2.951 N/A THR 322.A N ALA 318.A O no hydrogen 2.857 N/A VAL 323.A N ALA 319.A O no hydrogen 2.947 N/A LEU 324.A N ILE 320.A O no hydrogen 2.944 N/A GLU 325.A N ARG 321.A O no hydrogen 3.010 N/A HIS 326.A N THR 322.A O no hydrogen 2.886 N/A THR 327.A N VAL 323.A O no hydrogen 2.927 N/A THR 327.A OG1 VAL 323.A O no hydrogen 2.873 N/A THR 327.A OG1 LEU 324.A O no hydrogen 3.050 N/A LYS 328.A N LEU 324.A O no hydrogen 2.883 N/A ARG 329.A N GLU 325.A O no hydrogen 3.009 N/A LEU 331.A N LYS 328.A O no hydrogen 3.219 N/A